Commit a3c657e0 authored by Mohamed, Fawzi Roberto (fawzi)'s avatar Mohamed, Fawzi Roberto (fawzi)
Browse files

quick fix for eigenvalues

eigenvalues_kpoints looks strange, is it correct?
parent 05116df7
......@@ -77,13 +77,11 @@ def parse(filename):
p.addValue('smearing_kind', 'fermi')
p.addRealValue('smearing_width',
c(r.FermiWidth, 'hartree'))
with o(p, 'section_eigenvalues_group'):
for eps_kn, occ_kn in zip(r.Eigenvalues, r.OccupationNumbers):
with o(p, 'section_eigenvalues'):
p.addArrayValues('eigenvalues_values',
c(eps_kn, 'hartree'))
p.addArrayValues('eigenvalues_occupation', occ_kn)
p.addArrayValues('eigenvalues_kpoints', r.IBZKPoints)
with o(p, 'section_eigenvalues'):
p.addArrayValues('eigenvalues_values',
c(r.Eigenvalues, 'hartree'))
p.addArrayValues('eigenvalues_occupation', r.OccupationNumbers)
p.addArrayValues('eigenvalues_kpoints', r.IBZKPoints)
p.finishedParsingSession("ParseSuccess", None)
if __name__ == '__main__':
......
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